4-(methoxymethyl)-4-(trifluoromethyl)pyrrolidin-3-ol;hydrochloride

C7H13ClF3NO2 — CID 156540150

IUPAC4-(methoxymethyl)-4-(trifluoromethyl)pyrrolidin-3-ol;hydrochloride
SMILESCOCC1(C(F)(F)F)CNCC1O.Cl
InChIInChI=1S/C7H12F3NO2.ClH/c1-13-4-6(7(8,9)10)3-11-2-5(6)12;/h5,11-12H,2-4H2,1H3;1H
InChIKeyLDIDYTGSNJFKAE-UHFFFAOYSA-N
MW235.63 g/mol
LogP0.57
Rot. Bonds2

About 4-(methoxymethyl)-4-(trifluoromethyl)pyrrolidin-3-ol;hydrochloride

4-(methoxymethyl)-4-(trifluoromethyl)pyrrolidin-3-ol;hydrochloride (PubChem CID 156540150) has the molecular formula C7H13ClF3NO2 and a molecular weight of 235.63 g/mol. Its IUPAC name is 4-(methoxymethyl)-4-(trifluoromethyl)pyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name4-(methoxymethyl)-4-(trifluoromethyl)pyrrolidin-3-ol;hydrochloride
PubChem CID156540150
Molecular FormulaC7H13ClF3NO2
Molecular Weight235.63 g/mol
Exact Mass235.06
IUPAC Name4-(methoxymethyl)-4-(trifluoromethyl)pyrrolidin-3-ol;hydrochloride
SMILESCOCC1(C(F)(F)F)CNCC1O.Cl
InChIInChI=1S/C7H12F3NO2.ClH/c1-13-4-6(7(8,9)10)3-11-2-5(6)12;/h5,11-12H,2-4H2,1H3;1H
InChIKeyLDIDYTGSNJFKAE-UHFFFAOYSA-N
XLogP0.57
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.63
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-4-(trifluoromethyl)pyrrolidin-3-ol;hydrochloride?
The IUPAC name of 4-(methoxymethyl)-4-(trifluoromethyl)pyrrolidin-3-ol;hydrochloride (CID 156540150) is 4-(methoxymethyl)-4-(trifluoromethyl)pyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 4-(methoxymethyl)-4-(trifluoromethyl)pyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 4-(methoxymethyl)-4-(trifluoromethyl)pyrrolidin-3-ol;hydrochloride is COCC1(C(F)(F)F)CNCC1O.Cl.
What is the InChIKey of 4-(methoxymethyl)-4-(trifluoromethyl)pyrrolidin-3-ol;hydrochloride?
The InChIKey is LDIDYTGSNJFKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2.ClH/c1-13-4-6(7(8,9)10)3-11-2-5(6)12;/h5,11-12H,2-4H2,1H3;1H.
What are the key properties of 4-(methoxymethyl)-4-(trifluoromethyl)pyrrolidin-3-ol;hydrochloride?
4-(methoxymethyl)-4-(trifluoromethyl)pyrrolidin-3-ol;hydrochloride has a molecular weight of 235.63 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-4-(trifluoromethyl)pyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 156540150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).